Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

I-TASSER I-TASSER-MTD C-I-TASSER CR-I-TASSER QUARK C-QUARK LOMETS MUSTER CEthreader SEGMER DeepFold DeepFoldRNA FoldDesign COFACTOR COACH MetaGO TripletGO IonCom FG-MD ModRefiner REMO DEMO DEMO-EM DMFold SPRING COTH Threpp PEPPI BSpred ANGLOR EDock BSP-SLIM SAXSTER FUpred ThreaDom ThreaDomEx EvoDesign BindProf BindProfX SSIPe GPCR-I-TASSER MAGELLAN ResQ STRUM DAMpred

TM-score TM-align US-align MM-align RNA-align NW-align LS-align EDTSurf MVP MVP-Fit SPICKER HAAD PSSpred 3DRobot MR-REX I-TASSER-MR SVMSEQ NeBcon ResPRE TripletRes DeepPotential WDL-RF ATPbind DockRMSD DeepMSA FASPR EM-Refiner GPU-I-TASSER

BioLiP E. coli GLASS GPCR-HGmod GPCR-RD GPCR-EXP Tara-3D TM-fold DECOYS POTENTIAL RW/RWplus EvoEF HPSF THE-DB ADDRESS Alpaca-Antibody CASP7 CASP8 CASP9 CASP10 CASP11 CASP12 CASP13 CASP14

You can:

Ligand

NameMLS-0437176.0001
Molecular formulaC20H18N4O
IUPAC name4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
Molecular weight330.391
Hydrogen bond acceptor4
Hydrogen bond donor0
XlogP3.6
Synonyms4-(4-methoxyphenyl)-7-methyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazine
MCULE-2781717780
AS-938/12583062
ZINC36649131
CHEMBL1713770
[ Show all ]
Inchi KeyAYBHAKOBTPNMON-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H18N4O/c1-13-4-8-16(9-5-13)24-12-18-19(23-24)14(2)21-22-20(18)15-6-10-17(25-3)11-7-15/h4-12H,1-3H3
PubChem CID42600928
ChEMBLCHEMBL1713770
IUPHARN/A
BindingDB76072
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Total entries: 4
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
17292Cannabinoid receptor 1P21554CNR1Homo sapiens (Human)472
17295Cannabinoid receptor 2P34972CNR2Homo sapiens (Human)360
17294G-protein coupled receptor 35Q9HC97GPR35Homo sapiens (Human)309
17293G-protein coupled receptor 55Q9Y2T6GPR55Homo sapiens (Human)319

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218